********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: c-C6H8Fe(CO)3 * Name: cyclohexadiene-iron-tricarbonyl * Edge: Fe 2p * Alpha Formula: C9FeH8O3 * Data Source: Hitchcock * Filename: fj-0fel3.os * Ref. Code: WRH92 * Write Date: 93/06/10 * Reference: Organometallics 11 (92) 2559 * Source and Purity: Strem * Acquisition Mode: EELS, 2 deg, 2500 eV CRE mode, 0.7 eV fwhm *-------------------------------------------------------------- * No. of Spectra: 2 name1- 0fjlsm. name2- 0fjlsm.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 6.974100E+02 4.572562E+03 -1.963265E-01 6.977260E+02 4.581730E+03 -1.658873E-01 6.980420E+02 4.674928E+03 2.131637E-02 6.983580E+02 4.670821E+03 2.714207E-02 6.986740E+02 4.664013E+03 2.792462E-02 6.989900E+02 4.755751E+03 2.128825E-01 6.993060E+02 4.747326E+03 2.107491E-01 6.996220E+02 4.672089E+03 8.355802E-02 6.999380E+02 4.559136E+03 -1.144470E-01 7.002540E+02 4.664030E+03 9.553391E-02 7.005700E+02 4.600505E+03 -1.005575E-02 7.008860E+02 4.604425E+03 1.077129E-02 7.012020E+02 4.538639E+03 -9.927911E-02 7.015180E+02 4.610232E+03 4.866211E-02 7.018340E+02 4.590917E+03 2.585228E-02 7.021500E+02 4.451830E+03 -2.223615E-01 7.024660E+02 4.630771E+03 1.278932E-01 7.027820E+02 4.615940E+03 1.135115E-01 7.030980E+02 4.497291E+03 -9.663670E-02 7.034140E+02 4.604005E+03 1.181108E-01 7.037300E+02 4.526294E+03 -1.504640E-02 7.040470E+02 4.415119E+03 -2.115673E-01 7.043630E+02 4.425941E+03 -1.777728E-01 7.046790E+02 4.629322E+03 2.203273E-01 7.049950E+02 4.532428E+03 5.053166E-02 7.053110E+02 4.447323E+03 -9.716716E-02 7.056270E+02 4.469017E+03 -4.263138E-02 7.059430E+02 4.354931E+03 -2.455772E-01 7.062590E+02 4.634653E+03 2.986581E-01 7.065750E+02 4.540925E+03 1.343199E-01 7.068910E+02 4.510929E+03 9.087859E-02 7.072070E+02 4.438930E+03 -3.251332E-02 7.075230E+02 4.427443E+03 -4.091467E-02 7.078390E+02 4.531436E+03 1.705757E-01 7.081550E+02 4.565551E+03 2.491795E-01 7.084710E+02 4.588519E+03 3.066202E-01 7.087870E+02 4.728116E+03 5.866745E-01 7.091030E+02 5.249490E+03 1.596060E+00 7.094190E+02 5.515665E+03 2.119168E+00 7.097350E+02 6.285784E+03 3.606468E+00 7.100510E+02 6.826320E+03 4.656494E+00 7.103670E+02 7.015374E+03 5.034990E+00 7.106830E+02 7.318907E+03 5.633287E+00 7.109990E+02 8.325804E+03 7.580711E+00 7.113150E+02 9.519184E+03 9.888415E+00 7.116310E+02 1.082602E+04 1.241693E+01 7.119480E+02 1.105616E+04 1.288074E+01 7.122640E+02 9.885411E+03 1.065245E+01 7.125800E+02 8.148580E+03 7.332450E+00 7.128960E+02 7.004977E+03 5.149785E+00 7.132120E+02 6.124092E+03 3.470192E+00 7.135280E+02 5.620448E+03 2.515373E+00 7.138440E+02 5.417095E+03 2.138366E+00 7.141600E+02 5.278083E+03 1.885010E+00 7.144760E+02 5.032356E+03 1.425252E+00 7.147920E+02 5.035307E+03 1.445375E+00 7.151080E+02 5.103063E+03 1.590814E+00 7.154240E+02 5.036246E+03 1.476075E+00 7.157400E+02 5.129099E+03 1.670294E+00 7.160560E+02 4.958931E+03 1.355217E+00 7.163720E+02 5.076178E+03 1.596882E+00 7.166880E+02 4.968235E+03 1.402028E+00 7.170040E+02 4.813944E+03 1.116945E+00 7.173200E+02 4.698684E+03 9.072888E-01 7.176360E+02 4.715333E+03 9.537320E-01 7.179520E+02 4.725115E+03 9.868747E-01 7.182680E+02 4.669036E+03 8.918729E-01 7.185840E+02 4.703601E+03 9.732608E-01 7.189000E+02 4.847427E+03 1.267666E+00 7.192160E+02 4.792638E+03 1.175150E+00 7.195320E+02 4.878746E+03 1.357427E+00 7.198490E+02 4.755624E+03 1.131455E+00 7.201650E+02 4.698111E+03 1.033320E+00 7.204810E+02 4.814690E+03 1.275411E+00 7.207970E+02 4.839480E+03 1.338236E+00 7.211130E+02 4.854743E+03 1.382483E+00 7.214290E+02 4.909716E+03 1.504569E+00 7.217450E+02 5.179417E+03 2.047698E+00 7.220610E+02 5.540099E+03 2.769978E+00 7.223770E+02 5.875519E+03 3.443607E+00 7.226930E+02 6.309506E+03 4.311678E+00 7.230090E+02 6.376286E+03 4.459213E+00 7.233250E+02 6.595725E+03 4.907139E+00 7.236410E+02 6.730102E+03 5.188244E+00 7.239570E+02 7.023998E+03 5.783805E+00 7.242730E+02 7.150770E+03 6.050837E+00 7.245890E+02 6.997520E+03 5.766108E+00 7.249050E+02 6.662872E+03 5.123123E+00 7.252210E+02 6.376525E+03 4.574648E+00 7.255370E+02 5.867171E+03 3.584917E+00 7.258530E+02 5.586712E+03 3.046359E+00 7.261690E+02 5.347624E+03 2.588924E+00 7.264850E+02 5.117059E+03 2.147759E+00 7.268010E+02 5.034359E+03 1.998869E+00 7.271170E+02 5.020896E+03 1.986989E+00 7.274330E+02 5.014374E+03 1.988849E+00 7.277500E+02 4.877572E+03 1.732228E+00 7.280660E+02 4.768752E+03 1.530783E+00 7.283820E+02 4.704213E+03 1.417054E+00 7.286980E+02 4.773463E+03 1.569165E+00 7.290140E+02 4.799841E+03 1.636172E+00 7.293300E+02 4.746993E+03 1.545538E+00 7.296460E+02 4.676592E+03 1.419813E+00 7.299620E+02 4.732329E+03 1.545346E+00 7.302780E+02 4.642759E+03 1.381209E+00 7.305940E+02 4.587670E+03 1.285671E+00 7.309100E+02 4.730873E+03 1.586014E+00 7.312260E+02 4.805284E+03 1.749261E+00 7.315420E+02 4.674170E+03 1.501723E+00 7.318580E+02 4.723438E+03 1.614797E+00 7.321740E+02 4.669906E+03 1.522177E+00 7.324900E+02 4.610173E+03 1.417007E+00 7.328060E+02 4.608234E+03 1.427559E+00 7.331220E+02 4.589113E+03 1.403647E+00 7.334380E+02 4.647038E+03 1.534351E+00 7.337540E+02 4.587313E+03 1.428904E+00 7.340700E+02 4.509598E+03 1.287154E+00 7.343860E+02 4.472348E+03 1.226596E+00 7.347020E+02 4.482007E+03 1.260357E+00 7.350180E+02 4.459214E+03 1.228802E+00 7.353340E+02 4.468449E+03 1.261735E+00 7.356510E+02 4.415029E+03 1.168417E+00 7.359670E+02 4.382302E+03 1.116675E+00 7.362830E+02 4.386827E+03 1.140068E+00 7.365990E+02 4.330144E+03 1.039832E+00 7.369150E+02 4.413667E+03 1.222877E+00 7.372310E+02 4.312925E+03 1.033434E+00 7.375470E+02 4.524068E+03 1.474992E+00 7.378630E+02 4.454567E+03 1.348720E+00 7.381790E+02 4.408902E+03 1.270589E+00 7.384950E+02 4.345556E+03 1.156495E+00 7.388110E+02 4.406139E+03 1.293712E+00 7.391270E+02 4.334086E+03 1.161796E+00 7.394430E+02 4.335634E+03 1.179236E+00 7.397590E+02 4.295669E+03 1.112296E+00 7.400750E+02 4.453962E+03 1.448568E+00 7.403910E+02 4.416752E+03 1.387305E+00 7.407070E+02 4.248609E+03 1.059272E+00 7.410230E+02 4.440511E+03 1.464622E+00 7.413390E+02 4.261729E+03 1.114509E+00 7.416550E+02 4.232767E+03 1.069684E+00 7.419710E+02 4.277090E+03 1.174434E+00 7.422870E+02 4.241590E+03 1.116211E+00 7.426030E+02 4.273459E+03 1.195647E+00 7.429190E+02 4.247441E+03 1.156748E+00 7.432350E+02 4.196927E+03 1.067645E+00 7.435520E+02 4.155965E+03 9.980367E-01 7.438680E+02 4.217304E+03 1.137968E+00 7.441840E+02 4.208951E+03 1.135134E+00 7.445000E+02 4.260552E+03 1.255327E+00 7.448160E+02 4.196264E+03 1.137684E+00 7.451320E+02 4.254939E+03 1.272551E+00 7.454480E+02 4.072285E+03 9.113874E-01 7.457640E+02 4.160156E+03 1.106330E+00 7.460800E+02 4.171296E+03 1.143550E+00 7.463960E+02 4.131838E+03 1.076577E+00 7.467120E+02 4.144860E+03 1.117687E+00 7.470280E+02 4.136756E+03 1.115269E+00 7.473440E+02 4.152768E+03 1.162609E+00 7.476600E+02 4.186848E+03 1.247313E+00 7.479760E+02 4.163151E+03 1.212729E+00 7.482920E+02 4.111317E+03 1.119915E+00 7.486080E+02 4.157097E+03 1.228933E+00 7.489240E+02 4.045307E+03 1.011879E+00 7.492400E+02 4.038487E+03 1.011991E+00 7.495560E+02 4.003792E+03 9.543173E-01 7.498720E+02 4.143771E+03 1.258852E+00 7.501880E+02 4.096711E+03 1.175580E+00 7.505040E+02 4.025225E+03 1.041477E+00 7.508200E+02 4.049646E+03 1.106488E+00 7.511360E+02 4.083679E+03 1.191557E+00 7.514530E+02 3.965464E+03 9.600160E-01 7.517690E+02 3.984832E+03 1.014554E+00 7.520850E+02 3.992744E+03 1.045291E+00 7.524010E+02 4.039545E+03 1.157118E+00 7.527170E+02 4.029164E+03 1.149810E+00 7.530330E+02 3.981618E+03 1.064929E+00 7.533490E+02 4.014455E+03 1.147793E+00 7.536650E+02 3.921705E+03 9.683316E-01 7.539810E+02 3.993520E+03 1.132722E+00 7.542970E+02 4.005485E+03 1.172091E+00 7.546130E+02 3.987071E+03 1.147907E+00 7.549290E+02 4.000019E+03 1.189383E+00 7.552450E+02 3.968578E+03 1.137860E+00 7.555610E+02 3.854899E+03 9.137884E-01 7.558770E+02 3.973084E+03 1.176022E+00 7.561930E+02 3.980250E+03 1.205443E+00 7.565090E+02 3.892759E+03 1.036006E+00 7.568250E+02 3.911726E+03 1.090177E+00 7.571410E+02 4.011439E+03 1.314274E+00 7.574570E+02 3.980815E+03 1.264273E+00 7.577730E+02 3.842136E+03 9.866100E-01 7.580890E+02 3.805225E+03 9.230842E-01 7.584050E+02 3.865250E+03 1.063904E+00 7.587210E+02 3.915147E+03 1.183516E+00 7.590370E+02 3.966704E+03 1.306770E+00 7.593540E+02 3.941425E+03 1.267879E+00 7.596700E+02 3.828354E+03 1.043288E+00 7.599860E+02 3.884528E+03 1.176432E+00 7.603020E+02 3.812909E+03 1.039233E+00 7.606180E+02 3.845833E+03 1.123279E+00 7.609340E+02 3.841238E+03 1.127912E+00 7.612500E+02 3.865837E+03 1.194447E+00 7.615660E+02 3.804869E+03 1.079497E+00 7.618820E+02 3.809662E+03 1.104021E+00 7.621980E+02 3.860313E+03 1.225989E+00 7.625140E+02 3.849213E+03 1.216831E+00 7.628300E+02 3.822603E+03 1.174669E+00 7.631460E+02 3.796296E+03 1.133092E+00 7.634620E+02 3.653238E+03 8.428231E-01 7.637780E+02 3.704840E+03 9.669971E-01 7.640940E+02 3.796200E+03 1.176085E+00 7.644100E+02 3.668471E+03 9.179963E-01 7.647260E+02 3.742087E+03 1.089417E+00 7.650420E+02 3.647731E+03 9.022375E-01 7.653580E+02 3.639493E+03 8.988880E-01 7.656740E+02 3.692117E+03 1.025696E+00 7.659900E+02 3.670207E+03 9.931462E-01 7.663060E+02 3.739417E+03 1.155666E+00 7.666220E+02 3.745977E+03 1.184141E+00 7.669380E+02 3.743085E+03 1.192382E+00 7.672550E+02 3.658786E+03 1.026041E+00 7.675710E+02 3.556109E+03 8.199998E-01 7.678870E+02 3.674606E+03 1.088729E+00 7.682030E+02 3.617292E+03 9.799499E-01 7.685190E+02 3.613710E+03 9.865722E-01 7.688350E+02 3.647506E+03 1.073624E+00 7.691510E+02 3.618327E+03 1.025192E+00 7.694670E+02 3.658285E+03 1.125631E+00 7.697830E+02 3.506314E+03 8.124789E-01 7.700990E+02 3.643329E+03 1.122231E+00 7.704150E+02 3.580355E+03 1.000750E+00 7.707310E+02 3.558962E+03 9.689100E-01 7.710470E+02 3.527184E+03 9.145848E-01 7.713630E+02 3.498560E+03 8.670039E-01 7.716790E+02 3.599527E+03 1.099711E+00 7.719950E+02 3.520750E+03 9.436104E-01 7.723110E+02 3.637893E+03 1.211664E+00 7.726270E+02 3.463224E+03 8.476142E-01 7.729430E+02 3.602694E+03 1.164334E+00 7.732590E+02 3.551263E+03 1.067207E+00 7.735750E+02 3.571942E+03 1.126520E+00 7.738910E+02 3.523849E+03 1.036492E+00 7.742070E+02 3.530702E+03 1.065789E+00 7.745230E+02 3.578091E+03 1.183281E+00 7.748390E+02 3.537746E+03 1.109969E+00 7.751560E+02 3.411557E+03 8.496769E-01 7.754720E+02 3.388000E+03 8.126441E-01 7.757880E+02 3.484273E+03 1.036819E+00 7.761040E+02 3.439241E+03 9.529945E-01 7.764200E+02 3.461389E+03 1.015704E+00 7.767360E+02 3.467592E+03 1.043661E+00 7.770520E+02 3.412468E+03 9.376144E-01